Molecule card · MolClass #39619
24823823
24823823: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24823823Mitochondrial Fusion · compound_name
- MolClass ID
- 39619
- InChIKey
- AXRATJCFIRMDMQ-UHFFFAOYSA-N
- Canonical SMILES
- NC(=O)C3=C2NC(=O)c1c(ccs1)N2C(=S)S3
- Standard InChI
- InChI=1S/C9H5N3O2S3/c10-6(13)5-7-11-8(14)4-3(1-2-16-4)12(7)9(15)17-5/h1-2H,(H2,10,13)(H,11,14)
- Stored Murcko scaffold
- S1C=C2N[CH]c3sccc3N2[CH]1
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- 24823759#26250
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 161.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.354 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.554
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24823823